1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole

C43H32N2 — CID 169070805

About 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole

1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole (PubChem CID 169070805) has the molecular formula C43H32N2 and a molecular weight of 582.78 g/mol. Its IUPAC name is 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole.

Molecular Properties

• Compound Name: 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole
• PubChem CID: 169070805
• Molecular Formula: C43H32N2
• Molecular Weight: 582.78 g/mol
• Exact Mass: 582.29
• IUPAC Name: 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole
• SMILES: [2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c(C)nc6ccccc65)cc4)c4ccccc34)cc21
• InChI: InChI=1S/C43H32N2/c1-27-44-39-18-10-11-19-40(39)45(27)30-23-20-28(21-24-30)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-22-25-32-31-12-8-9-17-37(31)43(2,3)38(32)26-29/h4-26H,1-3H3/i2D3,3D3
• InChIKey: GOOHOPBNHAPOBP-XERRXZQWSA-N
• XLogP: 11.28
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.78
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole?

The IUPAC name of 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole (CID 169070805) is 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole.

What is the SMILES notation for 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole?

The canonical SMILES for 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c(C)nc6ccccc65)cc4)c4ccccc34)cc21.

What is the InChIKey of 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole?

The InChIKey is GOOHOPBNHAPOBP-XERRXZQWSA-N. The full InChI is InChI=1S/C43H32N2/c1-27-44-39-18-10-11-19-40(39)45(27)30-23-20-28(21-24-30)41-33-13-4-6-15-35(33)42(36-16-7-5-14-34(36)41)29-22-25-32-31-12-8-9-17-37(31)43(2,3)38(32)26-29/h4-26H,1-3H3/i2D3,3D3.

What are the key properties of 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole?

1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole has a molecular weight of 582.78 g/mol, XLogP of 11.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[10-[9,9-bis(trideuteriomethyl)fluoren-2-yl]anthracen-9-yl]phenyl]-2-methylbenzimidazole is sourced from PubChem (CID 169070805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).